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ファンデルワールス係数の決定 - media.hosei.ac.jp

2011 45.. Van der Waals Coefficients Determined by Molecular Dynamics 1) 2). Hiroyuki Ozeki, Yosuke Kataoka, 1).. 2).. Van der Waals coefficients a and b were determined by molecular dynamics simulations . Molar internal energy is a linear function of the inverse of molar volume with the coefficient a. The coefficient b was obtained by the van der Waals equation on pressure. The examined molecular systems were helium, neon, nitrogen and argon. The liquid-gas coexistence points were calculated by Gibbs energy in the case of argon. Keywords : Van der Waals Coefficients, Molecular Dynamics, Coexistence Points 1.. 1) 3.. a, b 2) Materials Explorer V43). 100 . NTV. Rare Gas.

法政大学情報メディア教育研究センター研究報告 Vol.24 2011 年 45 http://hdl.handle.net/10114/6452

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